5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline

C17H21NO3 — CID 82097177

IUPAC5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline
SMILESCOc1ccc(OCCCOc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H21NO3/c1-13-4-5-16(12-17(13)18)21-11-3-10-20-15-8-6-14(19-2)7-9-15/h4-9,12H,3,10-11,18H2,1-2H3
InChIKeyHSSOOQUUWVXPTH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.43
Rot. Bonds7

About 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline

5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline (PubChem CID 82097177) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline
PubChem CID82097177
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline
SMILESCOc1ccc(OCCCOc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H21NO3/c1-13-4-5-16(12-17(13)18)21-11-3-10-20-15-8-6-14(19-2)7-9-15/h4-9,12H,3,10-11,18H2,1-2H3
InChIKeyHSSOOQUUWVXPTH-UHFFFAOYSA-N
XLogP3.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline
CID 82097286
5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline
CID 82097172
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
2-methyl-5-[3-(2,3,6-trimethylphenoxy)propoxy]aniline
CID 82097182
5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline
CID 82097295
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167
2-methyl-5-[3-[4-(2-methylbutan-2-yl)phenoxy]propoxy]aniline
CID 82097183
5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
CID 39371068
5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline
CID 39427302
5-(3-ethylsulfonylpropoxy)-2-methylaniline
CID 114252472
5-[(4-aminophenoxy)methoxy]-2-methylaniline
CID 146356078
2-amino-5-methoxybenzenesulfonic acid;3-(3-amino-4-methylphenoxy)propane-1-sulfonic acid;methanamine
CID 143500687

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline?
The IUPAC name of 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline (CID 82097177) is 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline.
What is the SMILES notation for 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline?
The canonical SMILES for 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline is COc1ccc(OCCCOc2ccc(C)c(N)c2)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline?
The InChIKey is HSSOOQUUWVXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-4-5-16(12-17(13)18)21-11-3-10-20-15-8-6-14(19-2)7-9-15/h4-9,12H,3,10-11,18H2,1-2H3.
What are the key properties of 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline?
5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline has a molecular weight of 287.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline is sourced from PubChem (CID 82097177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).